Structure
|
|
|
| InChI Key |
YSIBQULRFXITSW-OWOJBTEDSA-N |
| Smiles |
O=[N+]([O-])C=1C=C(C(C=CC=2C(=CC(=CC2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=C(C1)[N+](=O)[O-])[N+](=O)[O-]
|
| InChI |
InChI=1/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H
|
Physicochemical Descriptors
| Property Name |
Value |
|
| Molecular Formula |
C14H12N6O12 |
| Molecular Weight |
450.0 |
| AlogP |
3.31 |
| Hydrogen Bond Acceptor |
12.0 |
| Number of Rotational Bond |
8.0 |
| Polar Surface Area |
258.84 |
| Heavy Atoms |
32.0 |
Cross References
